#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfu n ALA 69 N 0.00 2.23 -3.50 3.14 0.00 -1.26 -5.03 120.51 116.09 2gfu n ALA 69 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 2gfu n ALA 69 Cb 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2gfu n ALA 69 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2gfu s LYS 70 N -2.16 0.34 -0.26 0.00 2.20 -1.26 -5.07 119.74 113.53 2gfu s LYS 70 Ca -0.12 0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 56.19 2gfu s LYS 70 Cb 0.04 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 2gfu s LYS 70 CO 0.17 -0.44 0.13 -0.80 -0.36 0.00 0.00 175.35 174.05 2gfu s ASN 71 N 2.58 5.66 -0.71 1.43 0.01 -1.26 -5.02 114.94 117.64 2gfu s ASN 71 Ca 0.06 -0.07 -0.17 0.00 -0.71 0.00 0.00 52.86 51.96 2gfu s ASN 71 Cb -0.14 -2.03 -0.14 0.00 0.41 0.00 0.00 41.25 39.35 2gfu s ASN 71 CO -0.14 -0.02 1.90 0.18 -1.51 0.00 0.00 177.10 177.50 2gfu n LEU 72 N 4.87 3.87 0.03 0.60 7.99 -1.26 -4.46 117.00 128.64 2gfu n LEU 72 Ca -0.15 -2.69 -0.09 0.00 -0.01 0.00 0.00 56.01 53.07 2gfu n LEU 72 Cb 0.52 -1.03 -0.13 0.00 -0.11 0.00 0.00 43.42 42.67 2gfu n LEU 72 CO 0.32 -0.27 -0.17 -1.13 -1.51 0.00 0.00 177.39 174.63 2gfu h ASN 73 N 7.64 0.05 0.00 -1.43 -0.73 -1.97 -3.49 115.58 115.66 2gfu h ASN 73 Ca 0.41 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.50 2gfu h ASN 73 Cb 0.50 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.07 2gfu h ASN 73 CO 1.79 1.06 0.00 0.61 -0.37 0.00 0.00 177.43 180.52 2gfu n GLY 74 N 1.47 0.80 0.00 1.57 0.00 -1.26 -4.72 105.19 103.04 2gfu n GLY 74 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2gfu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gfu n GLY 75 N -1.70 0.00 5.91 -0.02 0.00 -1.26 -4.48 105.19 103.64 2gfu n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gfu n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gfu n LEU 76 N -0.03 0.00 0.22 0.99 7.94 -1.26 -1.23 117.00 123.63 2gfu n LEU 76 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 2gfu n LEU 76 Cb 0.00 0.00 0.44 0.00 0.53 0.00 0.00 43.42 44.39 2gfu n LEU 76 CO 0.00 0.00 0.79 0.03 -1.11 0.00 0.00 177.39 177.10 2gfu h ARG 77 N 0.00 0.00 0.00 1.96 3.08 -1.99 -3.47 114.38 113.96 2gfu h ARG 77 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gfu h ARG 77 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2gfu h ARG 77 CO 0.00 0.23 0.00 -2.13 -1.07 0.00 0.00 179.97 177.00 2gfu n ARG 78 N -3.38 0.00 -0.21 0.04 3.00 -0.80 -5.07 116.66 110.25 2gfu n ARG 78 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 2gfu n ARG 78 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.89 2gfu n ARG 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2gfu n SER 79 N 0.00 -1.23 0.00 6.15 2.88 -0.37 -4.88 113.62 116.18 2gfu n SER 79 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2gfu n SER 79 Cb 0.00 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2gfu n SER 79 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2gfu n VAL 80 N -2.29 0.00 -4.04 2.46 0.24 -1.26 -4.98 118.33 108.45 2gfu n VAL 80 Ca -0.00 -0.40 -0.31 0.00 -2.04 0.00 0.00 64.34 61.58 2gfu n VAL 80 Cb 0.10 1.15 -0.16 0.00 -1.47 0.00 0.00 33.84 33.46 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gfu s ALA 81 N -0.18 2.18 -0.37 2.33 0.00 -1.26 -5.12 121.76 119.33 2gfu s ALA 81 Ca 0.00 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 2gfu s ALA 81 Cb 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.83 2gfu s ALA 81 CO 0.00 -0.77 0.93 -1.25 0.00 0.00 0.00 175.76 174.67 2gfu s PRO 82 N 1.32 3.84 0.00 0.00 0.04 -1.26 -4.90 135.00 134.04 2gfu s PRO 82 Ca -0.01 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2gfu s PRO 82 Cb -0.16 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2gfu s PRO 82 CO -0.09 -0.96 0.00 0.00 0.04 0.00 0.00 177.00 176.00 2gfu n ALA 83 N 6.80 0.00 -3.03 8.56 0.00 -1.26 -5.10 120.51 126.48 2gfu n ALA 83 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 2gfu n ALA 83 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 2gfu n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu s ALA 84 N -2.00 3.18 -0.83 0.00 0.00 -1.26 -5.04 121.76 115.81 2gfu s ALA 84 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 50.55 2gfu s ALA 84 Cb 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.93 2gfu s ALA 84 CO 0.00 -0.54 2.05 -1.25 0.00 0.00 0.00 175.76 176.02 2gfu s PRO 85 N 1.62 2.34 0.00 0.00 0.04 -1.26 -4.55 135.00 133.18 2gfu s PRO 85 Ca 0.06 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2gfu s PRO 85 Cb -0.15 -4.91 0.00 0.00 0.04 0.00 0.00 34.50 29.48 2gfu s PRO 85 CO 0.04 -3.53 0.00 0.25 0.04 0.00 0.00 177.00 173.80 2gfu n THR 86 N 8.00 0.00 -3.88 1.26 -2.24 -1.26 -5.20 114.28 110.97 2gfu n THR 86 Ca 0.39 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.18 2gfu n THR 86 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2gfu n THR 86 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2gfu n SER 87 N 0.00 -0.32 -1.80 3.42 2.88 -1.26 -4.83 113.62 111.70 2gfu n SER 87 Ca 0.00 -1.07 -0.02 0.00 -1.33 0.00 0.00 58.87 56.44 2gfu n SER 87 Cb 0.00 0.50 0.04 0.00 -0.75 0.00 0.00 64.21 64.00 2gfu n SER 87 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2gfu n SER 88 N -0.41 -0.89 -4.34 -3.46 7.64 -1.26 -5.08 113.62 105.82 2gfu n SER 88 Ca 0.01 -1.67 -0.45 0.00 1.01 0.00 0.00 58.87 57.77 2gfu n SER 88 Cb 0.15 0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 2gfu n SER 88 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2gfu s ASP 89 N -0.73 6.19 -0.11 6.43 1.01 -1.26 -4.42 116.67 123.78 2gfu s ASP 89 Ca 0.04 -1.64 0.02 0.00 0.71 0.00 0.00 52.55 51.68 2gfu s ASP 89 Cb 0.20 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.89 2gfu s ASP 89 CO -0.06 -0.97 -0.17 -0.36 0.21 0.00 0.00 175.17 173.82 2gfu s PHE 90 N 2.08 2.06 0.43 4.23 0.08 -1.26 -5.16 117.98 120.44 2gfu s PHE 90 Ca 0.07 -0.94 0.07 0.00 0.12 0.00 0.00 56.93 56.25 2gfu s PHE 90 Cb -0.27 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2gfu s PHE 90 CO 0.04 -0.46 0.24 -1.54 -0.10 0.00 0.00 175.22 173.40 2gfu s SER 91 N 0.85 4.58 -0.05 1.36 1.04 -1.26 -5.02 113.70 115.19 2gfu s SER 91 Ca -0.09 -1.03 -0.40 0.00 0.48 0.00 0.00 55.95 54.91 2gfu s SER 91 Cb -0.15 -0.41 -0.19 0.00 0.10 0.00 0.00 66.02 65.36 2gfu s SER 91 CO 0.00 -0.62 1.20 -2.65 0.98 0.00 0.00 173.24 172.15 2gfu n PRO 92 N -1.35 0.24 -0.60 4.02 -0.02 -1.26 -2.94 135.00 133.09 2gfu n PRO 92 Ca -0.00 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2gfu n PRO 92 Cb 0.64 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2gfu n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gfu n GLY 93 N 2.05 0.76 3.88 -1.23 0.00 0.75 -4.93 105.19 106.47 2gfu n GLY 93 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2gfu n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gfu s ASP 94 N -2.56 6.58 -0.18 1.61 2.15 -1.15 -4.85 116.67 118.26 2gfu s ASP 94 Ca 0.00 0.76 -0.04 0.00 0.43 0.00 0.00 52.55 53.69 2gfu s ASP 94 Cb 0.00 -2.16 -0.02 0.00 -0.30 0.00 0.00 42.92 40.44 2gfu s ASP 94 CO 0.00 0.05 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.27 2gfu s LEU 95 N -2.49 3.23 0.13 -1.34 2.01 -1.26 -2.47 118.68 116.49 2gfu s LEU 95 Ca 0.41 -0.19 0.06 0.00 0.01 0.00 0.00 54.13 54.42 2gfu s LEU 95 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 46.19 44.24 2gfu s LEU 95 CO 0.22 0.10 -0.14 0.68 1.01 0.00 0.00 176.35 178.22 2gfu s VAL 96 N 0.79 1.34 -0.26 -1.59 -7.23 -1.06 -0.42 120.40 111.97 2gfu s VAL 96 Ca -0.00 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 2gfu s VAL 96 Cb -0.14 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2gfu s VAL 96 CO 0.02 -0.43 0.18 0.26 -0.31 0.00 0.00 175.10 174.82 2gfu s TRP 97 N -2.19 3.26 -0.15 2.82 0.52 0.14 -1.07 118.94 122.27 2gfu s TRP 97 Ca 0.10 0.17 -0.03 0.00 0.02 0.00 0.00 56.10 56.35 2gfu s TRP 97 Cb -0.05 -2.34 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 2gfu s TRP 97 CO 0.03 -0.06 -0.04 0.00 0.02 0.00 0.00 176.95 176.90 2gfu s ALA 98 N 1.47 3.02 -0.11 0.98 0.00 0.21 -0.27 121.76 127.06 2gfu s ALA 98 Ca 0.07 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2gfu s ALA 98 Cb -0.15 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 2gfu s ALA 98 CO 0.08 0.26 -0.04 0.21 0.00 0.00 0.00 175.76 176.28 2gfu s LYS 99 N 0.22 3.20 0.11 0.00 2.47 -0.64 -2.48 119.74 122.60 2gfu s LYS 99 Ca -0.02 -0.50 0.05 0.00 -1.56 0.00 0.00 55.97 53.95 2gfu s LYS 99 Cb -0.14 -2.78 -0.04 0.00 -1.46 0.00 0.00 37.83 33.42 2gfu s LYS 99 CO 0.03 0.50 -0.14 1.41 0.16 0.00 0.00 175.35 177.31 2gfu s MET 100 N -0.35 0.95 -0.82 4.03 -2.45 -1.26 -4.81 119.30 114.59 2gfu s MET 100 Ca 0.06 -1.16 -0.26 0.00 -1.25 0.00 0.00 55.69 53.08 2gfu s MET 100 Cb -0.12 -0.85 -0.11 0.00 1.25 0.00 0.00 34.83 35.00 2gfu s MET 100 CO 0.02 0.17 2.26 -1.83 1.05 0.00 0.00 175.02 176.69 2gfu s GLU 101 N -2.45 1.90 0.00 4.11 -1.05 -1.26 -1.47 118.70 118.48 2gfu s GLU 101 Ca 0.06 0.26 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 2gfu s GLU 101 Cb -0.06 -4.86 0.00 0.00 -0.44 0.00 0.00 34.13 28.77 2gfu s GLU 101 CO 0.02 -4.10 0.00 0.41 0.95 0.00 0.00 175.26 172.55 2gfu n GLY 102 N 6.81 0.85 3.78 -3.83 0.00 -1.26 -5.13 105.19 106.41 2gfu n GLY 102 Ca 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 2gfu n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gfu s TYR 103 N -2.00 2.93 0.90 1.61 1.51 -0.54 -5.15 117.35 116.61 2gfu s TYR 103 Ca 0.00 -0.20 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 2gfu s TYR 103 Cb 0.00 -1.44 0.13 0.00 -0.11 0.00 0.00 41.96 40.54 2gfu s TYR 103 CO 0.00 0.47 1.10 -1.25 -1.11 0.00 0.00 175.55 174.76 2gfu s PRO 104 N -3.83 1.24 -0.05 -1.71 0.04 -1.26 -4.62 135.00 124.82 2gfu s PRO 104 Ca 0.34 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 2gfu s PRO 104 Cb -0.07 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2gfu s PRO 104 CO 0.24 -2.21 1.55 -1.58 0.04 0.00 0.00 177.00 175.04 2gfu s TRP 105 N -3.03 2.31 -0.04 0.56 0.52 -1.26 -4.50 118.94 113.51 2gfu s TRP 105 Ca 0.63 0.44 0.03 0.00 0.02 0.00 0.00 56.10 57.23 2gfu s TRP 105 Cb -0.17 -3.81 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 2gfu s TRP 105 CO 0.56 -3.28 -0.14 -1.58 0.02 0.00 0.00 176.95 172.53 2gfu s TRP 106 N 3.50 1.39 0.61 -1.98 0.23 -1.04 -4.89 118.94 116.76 2gfu s TRP 106 Ca 0.69 -0.39 -0.19 0.00 -2.03 0.00 0.00 56.10 54.18 2gfu s TRP 106 Cb -0.32 -0.96 -0.02 0.00 0.03 0.00 0.00 33.47 32.20 2gfu s TRP 106 CO 0.27 -0.15 1.29 -2.14 0.96 0.00 0.00 176.95 177.18 2gfu s PRO 107 N 0.14 2.78 0.16 4.98 0.02 -1.26 -0.62 135.00 141.20 2gfu s PRO 107 Ca -0.04 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 62.85 2gfu s PRO 107 Cb -0.11 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.50 2gfu s PRO 107 CO 0.02 -1.42 0.48 -1.54 -0.33 0.00 0.00 177.00 174.21 2gfu s SER 108 N -1.34 -0.29 -0.06 2.53 1.04 -0.24 -2.16 113.70 113.18 2gfu s SER 108 Ca 0.79 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.92 2gfu s SER 108 Cb -0.37 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2gfu s SER 108 CO 0.40 -0.95 -0.17 -1.48 0.98 0.00 0.00 173.24 172.02 2gfu s LEU 109 N -2.83 2.55 -0.28 2.42 0.05 -0.92 -2.57 118.68 117.10 2gfu s LEU 109 Ca 0.05 -0.30 -0.17 0.00 0.05 0.00 0.00 54.13 53.76 2gfu s LEU 109 Cb 0.00 -1.51 -0.03 0.00 -2.05 0.00 0.00 46.19 42.60 2gfu s LEU 109 CO -0.08 0.29 0.46 -0.69 -0.55 0.00 0.00 176.35 175.78 2gfu s VAL 110 N -0.40 5.10 0.06 1.48 1.01 -1.03 -2.57 120.40 124.04 2gfu s VAL 110 Ca 0.04 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2gfu s VAL 110 Cb -0.12 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2gfu s VAL 110 CO 0.02 0.05 -0.05 -0.72 0.00 0.00 0.00 175.10 174.40 2gfu s TYR 111 N 2.24 0.61 -0.28 5.22 1.13 -1.26 -0.18 117.35 124.84 2gfu s TYR 111 Ca 0.18 -0.78 -0.29 0.00 -1.41 0.00 0.00 57.07 54.77 2gfu s TYR 111 Cb -0.16 -0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 40.30 2gfu s TYR 111 CO 0.10 -0.20 1.55 0.54 -2.51 0.00 0.00 175.55 175.03 2gfu s ASN 112 N -2.35 6.37 0.42 -0.18 4.22 -1.26 -4.77 114.94 117.40 2gfu s ASN 112 Ca -0.00 1.39 -0.04 0.00 -2.14 0.00 0.00 52.86 52.07 2gfu s ASN 112 Cb -0.01 -2.53 -0.04 0.00 1.28 0.00 0.00 41.25 39.95 2gfu s ASN 112 CO -0.04 -1.30 0.70 -2.28 -2.04 0.00 0.00 177.10 172.13 2gfu s HIS 113 N 5.28 3.53 -0.79 1.54 2.46 -1.26 -4.82 115.29 121.22 2gfu s HIS 113 Ca 0.68 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.90 2gfu s HIS 113 Cb -0.21 -2.18 0.00 0.00 -0.13 0.00 0.00 32.58 30.05 2gfu s HIS 113 CO 0.29 -0.11 0.21 -2.30 -2.47 0.00 0.00 174.74 170.35 2gfu n PRO 114 N -1.92 0.00 0.10 2.88 -0.02 -1.26 -0.15 135.00 134.63 2gfu n PRO 114 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2gfu n PRO 114 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 2gfu n PRO 114 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2gfu h PHE 115 N 0.00 0.00 -2.65 6.00 0.04 -1.92 -3.51 116.94 114.91 2gfu h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2gfu h PHE 115 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2gfu h PHE 115 CO 0.00 0.62 -0.18 -0.25 -0.60 0.00 0.00 178.31 177.89 2gfu n ASP 116 N -3.17 -2.66 0.00 2.17 8.00 0.78 -3.86 116.55 117.80 2gfu n ASP 116 Ca -0.01 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2gfu n ASP 116 Cb 0.80 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 2gfu n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gfu n GLY 117 N 1.19 2.79 3.39 0.44 0.00 -1.26 -5.00 105.19 106.74 2gfu n GLY 117 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2gfu n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gfu s THR 118 N -2.48 4.07 0.00 2.61 2.01 -1.25 -4.94 115.64 115.66 2gfu s THR 118 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2gfu s THR 118 Cb 0.00 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2gfu s THR 118 CO 0.00 0.26 0.03 2.22 -0.69 0.00 0.00 174.62 176.43 2gfu n PHE 119 N 4.89 0.00 -4.20 4.92 -1.74 -1.26 -4.65 117.46 115.42 2gfu n PHE 119 Ca -0.16 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.48 2gfu n PHE 119 Cb 0.50 0.02 -0.07 0.00 1.52 0.00 0.00 39.48 41.46 2gfu n PHE 119 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 2gfu s ILE 120 N 0.00 3.87 0.01 1.97 -4.36 -1.26 -3.37 121.20 118.06 2gfu s ILE 120 Ca 0.00 -1.50 -0.15 0.00 -0.26 0.00 0.00 60.65 58.74 2gfu s ILE 120 Cb 0.00 -3.01 0.02 0.00 1.25 0.00 0.00 42.46 40.72 2gfu s ILE 120 CO 0.00 -0.22 0.31 -0.13 0.24 0.00 0.00 174.94 175.14 2gfu s ARG 121 N -3.30 0.74 -0.09 0.37 0.52 -0.91 -5.02 118.95 111.26 2gfu s ARG 121 Ca 0.30 -0.33 -0.05 0.00 -0.52 0.00 0.00 55.73 55.13 2gfu s ARG 121 Cb -0.08 0.32 0.04 0.00 0.52 0.00 0.00 34.95 35.75 2gfu s ARG 121 CO 0.21 -0.22 0.20 -2.00 0.02 0.00 0.00 175.30 173.51 2gfu s GLU 122 N -1.88 0.16 -0.48 3.54 2.12 -1.26 -2.26 118.70 118.64 2gfu s GLU 122 Ca -0.10 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.69 2gfu s GLU 122 Cb -0.03 -0.11 0.13 0.00 0.26 0.00 0.00 34.13 34.37 2gfu s GLU 122 CO 0.01 -0.15 0.24 0.21 -0.54 0.00 0.00 175.26 175.03 2gfu s LYS 123 N 1.07 1.97 0.65 4.30 2.47 -1.19 -5.03 119.74 123.98 2gfu s LYS 123 Ca -0.08 -2.35 0.00 0.00 -1.56 0.00 0.00 55.97 51.98 2gfu s LYS 123 Cb -0.10 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.88 2gfu s LYS 123 CO -0.06 -1.08 0.00 0.41 0.16 0.00 0.00 175.35 174.78 2gfu n GLY 124 N 3.60 1.47 2.54 5.54 0.00 -1.26 -3.67 105.19 113.41 2gfu n GLY 124 Ca 0.05 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 2gfu n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gfu n LYS 125 N 0.00 1.29 -3.63 1.61 5.02 -1.26 -5.07 118.16 116.12 2gfu n LYS 125 Ca 0.00 -3.40 -0.07 0.00 -2.02 0.00 0.00 58.31 52.82 2gfu n LYS 125 Cb 0.00 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 2gfu n LYS 125 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2gfu s SER 126 N -2.98 -0.29 -0.05 4.39 0.01 -1.24 -5.05 113.70 108.49 2gfu s SER 126 Ca 0.32 0.52 0.07 0.00 1.31 0.00 0.00 55.95 58.17 2gfu s SER 126 Cb 0.42 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 67.15 2gfu s SER 126 CO -0.01 -0.13 -0.25 0.54 0.41 0.00 0.00 173.24 173.80 2gfu s VAL 127 N -0.12 2.07 0.03 3.43 0.11 -1.26 -3.15 120.40 121.50 2gfu s VAL 127 Ca 0.04 -1.08 0.09 0.00 -2.93 0.00 0.00 61.98 58.10 2gfu s VAL 127 Cb -0.04 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 2gfu s VAL 127 CO -0.08 0.57 -0.26 -0.13 -3.33 0.00 0.00 175.10 171.88 2gfu s ARG 128 N -0.32 1.92 0.22 1.54 0.52 -0.96 -0.42 118.95 121.44 2gfu s ARG 128 Ca 0.01 -1.05 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 2gfu s ARG 128 Cb -0.12 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 2gfu s ARG 128 CO 0.02 0.53 -0.07 0.14 0.02 0.00 0.00 175.30 175.94 2gfu s VAL 129 N -0.76 1.36 -0.28 3.52 -7.23 -1.11 -2.14 120.40 113.75 2gfu s VAL 129 Ca 0.11 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 2gfu s VAL 129 Cb -0.10 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2gfu s VAL 129 CO 0.01 -0.48 0.32 -1.38 -0.31 0.00 0.00 175.10 173.27 2gfu s HIS 130 N -3.21 3.24 0.17 2.82 -3.43 -1.22 -2.34 115.29 111.32 2gfu s HIS 130 Ca 0.25 0.30 -0.07 0.00 -0.80 0.00 0.00 55.06 54.74 2gfu s HIS 130 Cb 0.03 -2.52 -0.02 0.00 -1.43 0.00 0.00 32.58 28.64 2gfu s HIS 130 CO 0.07 -0.22 0.24 0.14 -2.00 0.00 0.00 174.74 172.96 2gfu s VAL 131 N 1.98 0.06 0.08 -5.38 -7.23 -1.24 -4.15 120.40 104.52 2gfu s VAL 131 Ca 0.12 -1.57 0.08 0.00 -1.81 0.00 0.00 61.98 58.81 2gfu s VAL 131 Cb -0.16 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2gfu s VAL 131 CO 0.10 -0.27 -0.22 0.00 -0.31 0.00 0.00 175.10 174.40 2gfu s GLN 132 N -4.01 1.29 -0.18 4.82 -2.07 -1.06 -3.59 119.66 114.86 2gfu s GLN 132 Ca 0.21 -1.08 -0.14 0.00 -1.82 0.00 0.00 55.36 52.53 2gfu s GLN 132 Cb 0.04 -1.51 -0.04 0.00 -1.09 0.00 0.00 33.01 30.41 2gfu s GLN 132 CO 0.03 0.37 0.31 -0.06 -1.32 0.00 0.00 175.29 174.61 2gfu s PHE 133 N -0.98 3.41 -0.96 9.60 0.40 0.36 -2.17 117.98 127.63 2gfu s PHE 133 Ca 0.08 0.55 -0.06 0.00 -0.60 0.00 0.00 56.93 56.90 2gfu s PHE 133 Cb -0.09 -2.39 -0.06 0.00 0.51 0.00 0.00 43.02 40.98 2gfu s PHE 133 CO 0.03 0.14 2.26 1.19 0.70 0.00 0.00 175.22 179.54 2gfu n PHE 134 N 3.95 1.43 0.00 0.36 3.72 -0.92 -2.19 117.46 123.81 2gfu n PHE 134 Ca -0.11 -2.06 0.00 0.00 -0.05 0.00 0.00 57.45 55.22 2gfu n PHE 134 Cb 0.52 -1.76 0.00 0.00 -0.94 0.00 0.00 39.48 37.30 2gfu n PHE 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gfu n ASP 135 N 4.02 0.00 -0.11 4.37 2.03 -1.26 -4.66 116.55 120.94 2gfu n ASP 135 Ca 0.48 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.58 2gfu n ASP 135 Cb 0.17 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.50 2gfu n ASP 135 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2gfu n ASP 136 N 0.00 1.70 -0.13 1.67 8.00 -1.26 -4.82 116.55 121.71 2gfu n ASP 136 Ca 0.00 0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.68 2gfu n ASP 136 Cb 0.00 -0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 2gfu n ASP 136 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2gfu h SER 137 N -0.85 0.66 -4.33 -2.24 0.02 -1.98 -3.48 113.55 101.35 2gfu h SER 137 Ca -0.46 -0.33 -0.46 0.00 -0.84 0.00 0.00 61.79 59.71 2gfu h SER 137 Cb 1.36 -0.18 0.13 0.00 0.14 0.00 0.00 62.40 63.85 2gfu h SER 137 CO -0.28 0.83 0.41 -2.16 -1.14 0.00 0.00 176.83 174.49 2gfu s PRO 138 N -4.92 1.37 0.09 3.45 0.04 -1.26 -4.90 135.00 128.86 2gfu s PRO 138 Ca -0.13 -0.13 -0.28 0.00 0.04 0.00 0.00 61.00 60.50 2gfu s PRO 138 Cb 0.09 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2gfu s PRO 138 CO 0.79 -1.96 0.89 0.99 0.04 0.00 0.00 177.00 177.75 2gfu s THR 139 N -3.71 4.57 0.05 1.26 2.01 -0.93 -4.92 115.64 113.97 2gfu s THR 139 Ca 0.67 1.92 -0.03 0.00 0.31 0.00 0.00 61.69 64.56 2gfu s THR 139 Cb -0.08 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2gfu s THR 139 CO 0.51 0.34 0.03 -0.60 -0.69 0.00 0.00 174.62 174.21 2gfu s ARG 140 N -0.04 0.61 0.00 4.92 3.52 -1.26 -0.49 118.95 126.22 2gfu s ARG 140 Ca 0.44 -1.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2gfu s ARG 140 Cb -0.22 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 2gfu s ARG 140 CO 0.28 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 2gfu n GLY 141 N 0.39 -0.54 3.46 8.12 0.00 -1.24 -5.05 105.19 110.32 2gfu n GLY 141 Ca -0.16 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2gfu n GLY 141 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gfu s TRP 142 N -3.01 3.18 0.47 1.61 0.52 -1.26 -3.65 118.94 116.80 2gfu s TRP 142 Ca 0.00 -0.54 -0.04 0.00 0.02 0.00 0.00 56.10 55.55 2gfu s TRP 142 Cb 0.00 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.30 2gfu s TRP 142 CO 0.00 -0.75 0.75 0.14 0.02 0.00 0.00 176.95 177.11 2gfu s VAL 143 N 2.04 4.76 -0.35 4.03 -7.23 -0.99 -4.94 120.40 117.73 2gfu s VAL 143 Ca 0.10 0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 60.02 2gfu s VAL 143 Cb -0.19 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 32.96 2gfu s VAL 143 CO 0.11 -0.73 0.98 -0.44 -0.31 0.00 0.00 175.10 174.71 2gfu s SER 144 N -4.12 6.76 0.35 4.85 0.01 -1.26 -2.77 113.70 117.52 2gfu s SER 144 Ca 0.47 0.73 0.27 0.00 1.31 0.00 0.00 55.95 58.73 2gfu s SER 144 Cb -0.10 -2.49 1.00 0.00 0.21 0.00 0.00 66.02 64.64 2gfu s SER 144 CO 0.43 -0.87 1.79 0.50 0.41 0.00 0.00 173.24 175.50 2gfu h LYS 145 N 8.37 0.00 0.00 12.44 3.64 -1.08 -2.42 116.57 137.52 2gfu h LYS 145 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2gfu h LYS 145 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2gfu h LYS 145 CO 1.00 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 176.05 2gfu n ARG 146 N -2.58 0.33 -0.47 1.90 0.63 -1.26 -2.40 116.66 112.82 2gfu n ARG 146 Ca 0.02 0.06 0.08 0.00 -0.92 0.00 0.00 57.85 57.10 2gfu n ARG 146 Cb 0.32 -1.50 0.29 0.00 0.45 0.00 0.00 32.46 32.02 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2gfu n LEU 147 N -1.29 4.13 -4.66 6.15 4.77 -0.91 -4.91 117.00 120.29 2gfu n LEU 147 Ca 0.11 -2.47 -0.36 0.00 -0.03 0.00 0.00 56.01 53.26 2gfu n LEU 147 Cb 0.20 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 2gfu n LEU 147 CO 0.19 0.76 -0.18 -0.76 -1.33 0.00 0.00 177.39 176.07 2gfu s LEU 148 N -1.87 4.09 0.31 2.23 1.43 -1.01 -1.63 118.68 122.24 2gfu s LEU 148 Ca 0.42 0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.73 2gfu s LEU 148 Cb 0.28 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 2gfu s LEU 148 CO 0.19 0.08 0.01 -0.54 0.23 0.00 0.00 176.35 176.32 2gfu s LYS 149 N 0.99 2.16 0.26 1.70 3.01 0.63 -4.81 119.74 123.68 2gfu s LYS 149 Ca 0.07 -1.62 -0.29 0.00 -1.01 0.00 0.00 55.97 53.12 2gfu s LYS 149 Cb -0.13 -2.02 -0.09 0.00 -1.01 0.00 0.00 37.83 34.57 2gfu s LYS 149 CO 0.04 0.21 0.95 -1.25 0.51 0.00 0.00 175.35 175.81 2gfu s PRO 150 N -3.71 4.77 -0.01 -1.68 0.04 -1.26 -0.68 135.00 132.47 2gfu s PRO 150 Ca 0.34 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 2gfu s PRO 150 Cb -0.03 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.31 2gfu s PRO 150 CO 0.20 0.43 0.38 -0.47 0.04 0.00 0.00 177.00 177.58 2gfu s TYR 151 N -1.29 3.72 0.00 0.56 6.14 0.44 -4.60 117.35 122.31 2gfu s TYR 151 Ca 0.44 0.95 0.00 0.00 0.64 0.00 0.00 57.07 59.10 2gfu s TYR 151 Cb -0.25 -2.25 0.00 0.00 0.42 0.00 0.00 41.96 39.88 2gfu s TYR 151 CO 0.31 0.65 0.00 -2.37 0.64 0.00 0.00 175.55 174.78 2gfu n THR 152 N 1.82 0.00 -3.18 4.34 5.66 -1.26 -4.74 114.28 116.92 2gfu n THR 152 Ca -0.14 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.90 2gfu n THR 152 Cb 0.53 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 2gfu n THR 152 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2gfu s GLY 153 N 0.00 0.01 0.04 1.09 0.00 -1.26 -4.97 107.32 102.23 2gfu s GLY 153 Ca 0.00 3.28 0.10 0.00 0.00 0.00 0.00 44.72 48.10 2gfu s GLY 153 CO 0.00 3.68 1.30 1.44 0.00 0.00 0.00 173.10 179.52 2gfu n SER 154 N 5.10 0.08 -1.13 1.64 7.64 -1.26 -1.82 113.62 123.87 2gfu n SER 154 Ca -0.08 0.53 -0.02 0.00 1.01 0.00 0.00 58.87 60.31 2gfu n SER 154 Cb 0.55 -0.54 0.21 0.00 -1.01 0.00 0.00 64.21 63.41 2gfu n SER 154 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2gfu n LYS 155 N -1.60 2.04 -3.86 1.43 2.85 -1.26 -4.50 118.16 113.26 2gfu n LYS 155 Ca 0.02 -3.11 -0.35 0.00 -1.05 0.00 0.00 58.31 53.82 2gfu n LYS 155 Cb 0.10 -1.83 -0.05 0.00 -0.65 0.00 0.00 35.03 32.59 2gfu n LYS 155 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2gfu s SER 156 N -2.39 6.41 0.32 -5.58 0.15 -0.76 -5.00 113.70 106.85 2gfu s SER 156 Ca 0.44 0.46 0.09 0.00 0.70 0.00 0.00 55.95 57.64 2gfu s SER 156 Cb 0.39 -2.05 0.88 0.00 -1.71 0.00 0.00 66.02 63.53 2gfu s SER 156 CO 0.02 0.33 1.71 0.50 1.20 0.00 0.00 173.24 177.00 2gfu h LYS 157 N 4.41 0.49 0.00 5.44 1.63 -1.94 0.44 116.57 127.04 2gfu h LYS 157 Ca -0.52 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 2gfu h LYS 157 Cb 1.21 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2gfu h LYS 157 CO 0.63 0.32 0.00 0.93 -3.45 0.00 0.00 179.45 177.88 2gfu h GLU 158 N 0.50 0.00 -0.02 1.90 3.07 -1.93 -3.10 114.58 115.00 2gfu h GLU 158 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 2gfu h GLU 158 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2gfu h GLU 158 CO -0.51 0.00 -0.14 0.00 -1.40 0.00 0.00 179.01 176.96 2gfu n ALA 159 N -1.83 2.80 -4.02 3.43 0.00 0.15 -1.80 120.51 119.24 2gfu n ALA 159 Ca 0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 2gfu n ALA 159 Cb 0.32 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2gfu n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu n GLN 160 N 0.79 1.05 -1.77 0.00 -0.00 -1.06 -4.76 117.38 111.63 2gfu n GLN 160 Ca 0.13 -1.40 -0.42 0.00 -0.00 0.00 0.00 57.00 55.31 2gfu n GLN 160 Cb 0.53 0.62 -0.03 0.00 -0.00 0.00 0.00 30.24 31.36 2gfu n GLN 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2gfu s LYS 161 N -2.65 4.15 0.00 2.61 2.20 -1.26 -1.01 119.74 123.78 2gfu s LYS 161 Ca 0.05 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 2gfu s LYS 161 Cb 0.00 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 2gfu s LYS 161 CO 0.04 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 2gfu n GLY 162 N 4.34 0.81 3.87 5.54 0.00 -1.26 -5.07 105.19 113.42 2gfu n GLY 162 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2gfu n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 163 N -1.74 1.72 0.22 -0.02 0.00 -0.18 -4.97 107.32 102.35 2gfu s GLY 163 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 44.72 44.47 2gfu s GLY 163 CO 0.00 0.08 1.89 0.45 0.00 0.00 0.00 173.10 175.52 2gfu h HIS 164 N 0.21 1.03 0.00 1.90 3.86 -1.77 -3.22 115.15 117.16 2gfu h HIS 164 Ca -0.46 0.02 -0.34 0.00 -1.16 0.00 0.00 60.37 58.43 2gfu h HIS 164 Cb 1.19 -0.35 -0.06 0.00 1.06 0.00 0.00 27.41 29.25 2gfu h HIS 164 CO 0.63 0.64 -2.17 1.19 0.86 0.00 0.00 177.93 179.08 2gfu n PHE 165 N -4.52 0.32 0.00 2.45 3.72 -0.96 -4.97 117.46 113.50 2gfu n PHE 165 Ca 0.09 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2gfu n PHE 165 Cb 0.03 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.51 2gfu n PHE 165 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2gfu n TYR 166 N -2.85 0.00 -3.54 1.38 9.36 -0.75 -4.70 117.16 116.07 2gfu n TYR 166 Ca -0.28 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.70 2gfu n TYR 166 Cb 1.12 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.89 2gfu n TYR 166 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2gfu n SER 167 N 0.00 -4.81 -4.49 2.98 7.64 -1.26 -4.86 113.62 108.83 2gfu n SER 167 Ca 0.00 -0.87 -0.42 0.00 1.01 0.00 0.00 58.87 58.59 2gfu n SER 167 Cb 0.00 -4.16 -0.04 0.00 -1.01 0.00 0.00 64.21 59.00 2gfu n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gfu s ALA 168 N -3.48 3.02 0.08 -0.43 0.00 -1.26 -4.73 121.76 114.96 2gfu s ALA 168 Ca 0.36 -1.59 0.10 0.00 0.00 0.00 0.00 51.96 50.83 2gfu s ALA 168 Cb -0.09 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.04 2gfu s ALA 168 CO 0.81 -2.85 -0.26 0.21 0.00 0.00 0.00 175.76 173.67 2gfu s LYS 169 N 4.52 1.59 0.43 0.00 2.20 -1.26 -4.99 119.74 122.22 2gfu s LYS 169 Ca 0.27 -1.21 0.13 0.00 -0.36 0.00 0.00 55.97 54.80 2gfu s LYS 169 Cb -0.14 -1.91 1.00 0.00 -1.51 0.00 0.00 37.83 35.28 2gfu s LYS 169 CO 0.13 0.47 1.99 -1.00 -0.36 0.00 0.00 175.35 176.58 2gfu h PRO 170 N 4.37 0.42 -0.32 4.03 0.13 -1.98 0.48 132.00 139.13 2gfu h PRO 170 Ca -0.48 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 2gfu h PRO 170 Cb 1.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2gfu h PRO 170 CO 0.41 0.28 -0.26 1.05 -0.23 0.00 0.00 178.00 179.26 2gfu h GLU 171 N 0.44 0.64 0.00 0.86 4.11 -1.96 0.18 114.58 118.85 2gfu h GLU 171 Ca 0.27 -0.26 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 2gfu h GLU 171 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2gfu h GLU 171 CO -0.07 0.84 -0.87 0.82 0.07 0.00 0.00 179.01 179.80 2gfu h ILE 172 N 0.56 1.50 0.34 -1.06 2.04 -1.62 -2.27 117.51 116.99 2gfu h ILE 172 Ca 0.08 -2.62 -0.02 0.00 1.00 0.00 0.00 64.86 63.30 2gfu h ILE 172 Cb 0.73 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2gfu h ILE 172 CO 0.06 0.76 -0.16 -0.07 0.00 0.00 0.00 178.15 178.73 2gfu h LEU 173 N 0.10 -0.39 -0.72 1.44 3.38 -0.74 -1.38 115.31 117.01 2gfu h LEU 173 Ca -0.04 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2gfu h LEU 173 Cb 1.49 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.29 2gfu h LEU 173 CO 0.13 -0.17 0.43 -0.09 0.09 0.00 0.00 178.44 178.83 2gfu h ARG 174 N -0.59 0.80 -0.23 1.13 1.12 -1.02 0.05 114.38 115.64 2gfu h ARG 174 Ca -0.05 -0.05 -0.13 0.00 -1.11 0.00 0.00 59.98 58.65 2gfu h ARG 174 Cb 0.43 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 2gfu h ARG 174 CO 0.08 0.53 -0.39 0.00 -3.11 0.00 0.00 179.97 177.08 2gfu h ALA 175 N 1.33 0.89 -0.49 2.80 0.00 -1.47 0.12 119.26 122.45 2gfu h ALA 175 Ca 0.30 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2gfu h ALA 175 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2gfu h ALA 175 CO -0.14 0.63 -0.20 0.52 0.00 0.00 0.00 179.25 180.06 2gfu h MET 176 N 0.44 1.00 0.02 0.00 2.86 -0.61 0.70 114.93 119.34 2gfu h MET 176 Ca 0.04 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2gfu h MET 176 Cb 0.88 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2gfu h MET 176 CO 0.07 1.10 -0.01 1.96 1.06 0.00 0.00 176.91 181.09 2gfu h GLN 177 N 0.85 -0.03 -0.20 1.72 4.20 -0.67 -0.05 115.11 120.94 2gfu h GLN 177 Ca 0.11 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 2gfu h GLN 177 Cb 0.78 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 2gfu h GLN 177 CO 0.06 0.28 -0.59 0.07 -0.67 0.00 0.00 178.83 177.99 2gfu h ARG 178 N -0.34 0.66 -0.01 1.46 0.11 -0.84 -0.18 114.38 115.24 2gfu h ARG 178 Ca -0.00 -0.44 -0.09 0.00 0.10 0.00 0.00 59.98 59.55 2gfu h ARG 178 Cb 0.32 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2gfu h ARG 178 CO 0.00 1.06 -0.44 0.00 0.10 0.00 0.00 179.97 180.70 2gfu h ALA 179 N 0.85 1.26 -0.04 0.08 0.00 -0.95 -2.67 119.26 117.78 2gfu h ALA 179 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2gfu h ALA 179 Cb 1.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2gfu h ALA 179 CO 0.12 0.55 -0.05 0.22 0.00 0.00 0.00 179.25 180.09 2gfu h ASP 180 N 0.02 0.12 -0.48 0.00 3.58 -0.97 -3.35 116.42 115.35 2gfu h ASP 180 Ca -0.00 -0.50 0.08 0.00 0.42 0.00 0.00 57.03 57.03 2gfu h ASP 180 Cb 0.78 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 2gfu h ASP 180 CO 0.06 0.60 0.07 -0.08 -2.88 0.00 0.00 179.24 177.01 2gfu h GLU 181 N -0.35 0.19 0.00 0.28 4.57 -0.97 -1.18 114.58 117.12 2gfu h GLU 181 Ca 0.01 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2gfu h GLU 181 Cb 0.57 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2gfu h GLU 181 CO 0.01 0.13 -0.38 0.00 -1.18 0.00 0.00 179.01 177.59 2gfu h ALA 182 N 1.39 1.31 0.20 2.92 0.00 -1.65 -0.41 119.26 123.02 2gfu h ALA 182 Ca 0.24 -0.34 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 2gfu h ALA 182 Cb 0.33 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.08 2gfu h ALA 182 CO -0.33 0.47 -1.30 1.37 0.00 0.00 0.00 179.25 179.46 2gfu h LEU 183 N 0.00 0.65 -0.89 0.00 -0.00 -1.61 -2.33 115.31 111.14 2gfu h LEU 183 Ca -0.00 -0.93 -0.12 0.00 -0.00 0.00 0.00 57.88 56.83 2gfu h LEU 183 Cb 0.70 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 2gfu h LEU 183 CO 0.05 1.61 -0.54 -1.13 -0.00 0.00 0.00 178.44 178.43 2gfu h ASN 184 N -0.07 0.03 0.00 0.17 -0.73 -1.23 -3.42 115.58 110.33 2gfu h ASN 184 Ca -0.24 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.92 2gfu h ASN 184 Cb 1.95 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.54 2gfu h ASN 184 CO 0.20 0.57 0.00 0.29 -0.37 0.00 0.00 177.43 178.12 2gfu n LYS 185 N -3.89 0.00 -4.09 6.67 5.02 -0.17 -5.05 118.16 116.65 2gfu n LYS 185 Ca -0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 2gfu n LYS 185 Cb 0.56 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.43 2gfu n LYS 185 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2gfu s ASP 186 N -0.60 0.61 0.45 4.39 2.15 -1.25 -5.03 116.67 117.39 2gfu s ASP 186 Ca 0.00 -0.27 0.22 0.00 0.43 0.00 0.00 52.55 52.93 2gfu s ASP 186 Cb 0.00 -0.02 1.20 0.00 -0.30 0.00 0.00 42.92 43.81 2gfu s ASP 186 CO 0.00 -0.06 1.85 0.07 -0.17 0.00 0.00 175.17 176.86 2gfu h LYS 187 N 5.43 0.28 -0.85 4.34 2.10 -1.74 -0.65 116.57 125.47 2gfu h LYS 187 Ca -0.30 -0.02 0.25 0.00 -2.00 0.00 0.00 60.65 58.57 2gfu h LYS 187 Cb 1.20 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.43 2gfu h LYS 187 CO 0.46 0.18 0.70 0.97 -2.00 0.00 0.00 179.45 179.77 2gfu h ILE 188 N 0.29 0.41 -0.07 0.07 -0.00 -1.96 0.97 117.51 117.21 2gfu h ILE 188 Ca 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 65.29 2gfu h ILE 188 Cb 1.39 0.49 -0.01 0.00 -0.00 0.00 0.00 36.82 38.69 2gfu h ILE 188 CO -0.15 0.00 -0.20 0.11 -0.00 0.00 0.00 178.15 177.91 2gfu h LYS 189 N 0.00 0.11 -0.02 2.19 6.56 -1.42 -0.45 116.57 123.53 2gfu h LYS 189 Ca 0.40 -0.03 -0.23 0.00 -1.06 0.00 0.00 60.65 59.74 2gfu h LYS 189 Cb 1.79 -0.01 0.02 0.00 -0.57 0.00 0.00 32.23 33.46 2gfu h LYS 189 CO -0.00 0.31 -0.87 0.07 -2.06 0.00 0.00 179.45 176.90 2gfu h ARG 190 N 0.10 0.63 0.00 3.15 -0.00 -1.00 -3.34 114.38 113.91 2gfu h ARG 190 Ca 0.02 -0.65 0.00 0.00 -0.00 0.00 0.00 59.98 59.35 2gfu h ARG 190 Cb 0.42 0.18 0.00 0.00 -0.00 0.00 0.00 29.97 30.57 2gfu h ARG 190 CO 0.03 1.25 0.00 -0.07 -0.00 0.00 0.00 179.97 181.18 2gfu h LEU 191 N 0.26 0.00 -1.98 0.08 3.38 -1.40 0.10 115.31 115.75 2gfu h LEU 191 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2gfu h LEU 191 Cb 1.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2gfu h LEU 191 CO 0.17 0.00 -0.10 -0.08 0.09 0.00 0.00 178.44 178.52 2gfu h GLU 192 N 0.00 0.00 0.00 1.13 4.81 -1.20 -3.25 114.58 116.07 2gfu h GLU 192 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2gfu h GLU 192 Cb 0.46 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 2gfu h GLU 192 CO 0.00 0.10 -2.09 1.28 -0.73 0.00 0.00 179.01 177.56 2gfu n LEU 193 N -3.58 1.48 0.00 1.64 4.77 -0.80 -5.05 117.00 115.47 2gfu n LEU 193 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2gfu n LEU 193 Cb 0.22 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2gfu n LEU 193 CO 0.29 0.43 0.00 0.00 -1.33 0.00 0.00 177.39 176.78 2gfu n ALA 194 N -3.82 0.00 -0.62 -1.18 0.00 0.29 -2.01 120.51 113.17 2gfu n ALA 194 Ca -0.38 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.15 2gfu n ALA 194 Cb 0.78 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.56 2gfu n ALA 194 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gfu n VAL 195 N 0.00 1.81 -1.48 0.00 0.24 -1.26 -4.87 118.33 112.77 2gfu n VAL 195 Ca 0.00 -1.25 -0.01 0.00 -2.04 0.00 0.00 64.34 61.04 2gfu n VAL 195 Cb 0.00 0.13 -0.00 0.00 -1.47 0.00 0.00 33.84 32.49 2gfu n VAL 195 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2gfu n SER 196 N 0.92 -2.25 -0.45 -1.34 2.88 -0.85 -4.70 113.62 107.84 2gfu n SER 196 Ca 0.24 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2gfu n SER 196 Cb 0.85 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2gfu n SER 196 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2gfu n ASP 197 N 1.84 0.00 -4.80 -3.46 5.75 -1.26 -4.92 116.55 109.69 2gfu n ASP 197 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.41 2gfu n ASP 197 Cb 0.25 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 2gfu n ASP 197 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2gfu s GLU 198 N 0.00 4.37 0.00 0.11 -1.05 -1.26 -5.10 118.70 115.77 2gfu s GLU 198 Ca 0.00 1.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 2gfu s GLU 198 Cb 0.00 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 2gfu s GLU 198 CO 0.00 0.24 0.00 -0.35 0.95 0.00 0.00 175.26 176.10 2gfu n PRO 199 N 0.28 0.53 -2.70 -4.83 -0.04 -1.26 -5.07 135.00 121.91 2gfu n PRO 199 Ca 0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 2gfu n PRO 199 Cb 0.51 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.07 2gfu n PRO 199 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gfu n SER 200 N -2.32 -1.95 0.00 3.54 7.64 -1.26 -5.30 113.62 113.97 2gfu n SER 200 Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2gfu n SER 200 Cb 0.00 1.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 2gfu n SER 200 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24